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CAS No.: | 14387-10-1 |
---|---|
Name: | 2-(4-ethylphenyl)acetic acid |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H12O2 |
Molecular Weight: | 164.204 |
Synonyms: | Aceticacid, (p-ethylphenyl)- (6CI,8CI);4-Ethylphenylacetic acid;p-Ethylphenylaceticacid; |
Density: | 1.096 g/cm3 |
Boiling Point: | 289.2 °C at 760 mmHg |
Flash Point: | 186.4 °C |
PSA: | 37.30000 |
LogP: | 1.87610 |
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The Benzeneacetic acid,4-ethyl-, with the CAS registry number 14387-10-1, is also known as 2-(4-Ethylphenyl)acetic acid. This chemical's molecular formula is C10H12O2 and molecular weight is 164.20108. Its IUPAC name is called 2-(4-ethylphenyl)acetic acid.
Physical properties of Benzeneacetic acid,4-ethyl-: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 1.35; (3)ACD/LogD (pH 7.4): -0.45; (4)ACD/BCF (pH 5.5): 3.28; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 38.39; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 46.91 cm3; (13)Molar Volume: 149.6 cm3; (14)Surface Tension: 42.5 dyne/cm; (15)Density: 1.096 g/cm3; (16)Flash Point: 186.4 °C; (17)Enthalpy of Vaporization: 55.82 kJ/mol; (18)Boiling Point: 289.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00103 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)CC(=O)O
(2)InChI: InChI=1S/C10H12O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
(3)InChIKey: QMBLXRHXCGJOGU-UHFFFAOYSA-N